3-(1,5-dimethylpyrazol-4-yl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide

C17H27N5O — CID 124721385

IUPAC3-(1,5-dimethylpyrazol-4-yl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide
SMILESCc1c(CCC(=O)NC[C@H](c2ccnn2C)C(C)C)cnn1C
InChIInChI=1S/C17H27N5O/c1-12(2)15(16-8-9-19-22(16)5)11-18-17(23)7-6-14-10-20-21(4)13(14)3/h8-10,12,15H,6-7,11H2,1-5H3,(H,18,23)/t15-/m0/s1
InChIKeyACDIYSADKOPLBN-HNNXBMFYSA-N
MW317.44 g/mol
LogP1.95
Rot. Bonds7

About 3-(1,5-dimethylpyrazol-4-yl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide

3-(1,5-dimethylpyrazol-4-yl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide (PubChem CID 124721385) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 3-(1,5-dimethylpyrazol-4-yl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide.

Molecular Properties

Compound Name3-(1,5-dimethylpyrazol-4-yl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide
PubChem CID124721385
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name3-(1,5-dimethylpyrazol-4-yl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide
SMILESCc1c(CCC(=O)NC[C@H](c2ccnn2C)C(C)C)cnn1C
InChIInChI=1S/C17H27N5O/c1-12(2)15(16-8-9-19-22(16)5)11-18-17(23)7-6-14-10-20-21(4)13(14)3/h8-10,12,15H,6-7,11H2,1-5H3,(H,18,23)/t15-/m0/s1
InChIKeyACDIYSADKOPLBN-HNNXBMFYSA-N
XLogP1.95
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1,5-dimethylpyrazol-4-yl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide with MolForge

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Related Compounds

3-(5-methyl-1H-indol-3-yl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide
CID 124725974
3-(3,4-dimethoxyphenyl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide
CID 124729672
3-(1,5-dimethylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 35762699
2,2,6,6-tetramethyl-N-[(2S)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]morpholine-4-carboxamide
CID 124855766
2-[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19492095
1-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-3-(1,3-thiazol-2-yl)urea
CID 124727220
3-(1,5-dimethylpyrazol-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 35763072
4-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide
CID 106047441
N-[3-methyl-2-(2-methylpyrazol-3-yl)butyl]-2-azaspiro[4.4]nonane-2-carboxamide
CID 119045435
N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-2-azaspiro[4.5]decane-2-carboxamide
CID 124726994
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-2-sulfanylbutanamide
CID 106040607
methyl 4-(1,5-dimethylpyrazol-4-yl)-2-methylbutanoate
CID 146474722

Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethylpyrazol-4-yl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide?
The IUPAC name of 3-(1,5-dimethylpyrazol-4-yl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide (CID 124721385) is 3-(1,5-dimethylpyrazol-4-yl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide.
What is the SMILES notation for 3-(1,5-dimethylpyrazol-4-yl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide?
The canonical SMILES for 3-(1,5-dimethylpyrazol-4-yl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide is Cc1c(CCC(=O)NC[C@H](c2ccnn2C)C(C)C)cnn1C.
What is the InChIKey of 3-(1,5-dimethylpyrazol-4-yl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide?
The InChIKey is ACDIYSADKOPLBN-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-12(2)15(16-8-9-19-22(16)5)11-18-17(23)7-6-14-10-20-21(4)13(14)3/h8-10,12,15H,6-7,11H2,1-5H3,(H,18,23)/t15-/m0/s1.
What are the key properties of 3-(1,5-dimethylpyrazol-4-yl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide?
3-(1,5-dimethylpyrazol-4-yl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide has a molecular weight of 317.44 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethylpyrazol-4-yl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide is sourced from PubChem (CID 124721385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).